@MOLECULE methyl 2-acetamido-2-deoxy-4-o-(6-deoxy-alpha-d-galactopyranosyl)-beta-d-glucopyranoside 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9579 0.1449 -0.0654 O.3 1 UNL1111111111 -0.4709 2 O 1.8667 -2.0822 -0.1084 O.3 1 UNL1111111111 -0.4629 3 O -2.8546 -0.7303 -1.0011 O.3 1 UNL1111111111 -0.4251 4 O 1.1173 1.8464 -0.8163 O.3 1 UNL1111111111 -0.6025 5 O 4.0640 -1.7091 0.3495 O.3 1 UNL1111111111 -0.3974 6 O -1.8254 2.7478 -0.5352 O.3 1 UNL1111111111 -0.5624 7 O -3.9722 2.4797 1.3535 O.3 1 UNL1111111111 -0.5736 8 O -5.2735 0.4457 0.1527 O.3 1 UNL1111111111 -0.5401 9 O -0.2916 -3.9800 0.0337 O.3 1 UNL1111111111 -0.5396 10 O 3.6893 2.5763 -1.0406 O.2 1 UNL1111111111 -0.5588 11 N 3.6921 1.0414 0.6220 N.am 1 UNL1111111111 -0.6063 12 C 0.2862 -0.3089 -0.5526 C.3 1 UNL1111111111 0.0517 13 C 1.2976 0.7246 0.0066 C.3 1 UNL1111111111 0.1099 14 C 2.7409 0.1717 -0.0768 C.3 1 UNL1111111111 -0.0453 15 C 0.5055 -1.7079 0.0522 C.3 1 UNL1111111111 0.0295 16 C -1.9865 0.3570 -1.0171 C.3 1 UNL1111111111 0.2767 17 C 2.7658 -1.2346 0.5799 C.3 1 UNL1111111111 0.2845 18 C -2.6828 1.6418 -0.5181 C.3 1 UNL1111111111 0.0447 19 C -3.1781 1.3933 0.9156 C.3 1 UNL1111111111 0.0499 20 C -4.1201 0.1716 0.9193 C.3 1 UNL1111111111 0.0636 21 C -3.4294 -1.0471 0.2690 C.3 1 UNL1111111111 0.1224 22 C -0.2558 -2.7912 -0.7236 C.3 1 UNL1111111111 -0.0236 23 C -4.4268 -2.1483 -0.0606 C.3 1 UNL1111111111 -0.4574 24 C 4.1908 2.1703 -0.0052 C.2 1 UNL1111111111 0.6281 25 C 4.2286 -3.0969 0.5966 C.3 1 UNL1111111111 -0.1768 26 C 5.3345 2.8586 0.6764 C.3 1 UNL1111111111 -0.5254 27 H 0.3283 -0.3216 -1.6634 H 1 UNL1111111111 0.1566 28 H 1.0297 1.0404 1.0408 H 1 UNL1111111111 0.1479 29 H 3.0382 0.0762 -1.1609 H 1 UNL1111111111 0.1927 30 H 0.2358 -1.7312 1.1317 H 1 UNL1111111111 0.1488 31 H -1.6231 0.4044 -2.0639 H 1 UNL1111111111 0.1503 32 H -3.5210 1.9333 -1.1945 H 1 UNL1111111111 0.1716 33 H 2.5357 -1.2450 1.6657 H 1 UNL1111111111 0.1144 34 H -2.3372 1.2822 1.6338 H 1 UNL1111111111 0.1455 35 H -4.4569 -0.0672 1.9527 H 1 UNL1111111111 0.1350 36 H -2.6048 -1.4095 0.9255 H 1 UNL1111111111 0.1319 37 H 0.2035 -2.9935 -1.7079 H 1 UNL1111111111 0.1331 38 H -1.3277 -2.5259 -0.8495 H 1 UNL1111111111 0.1785 39 H 4.1537 0.6541 1.4317 H 1 UNL1111111111 0.3166 40 H 1.9844 2.2716 -1.0486 H 1 UNL1111111111 0.3769 41 H -3.9344 -3.0028 -0.5401 H 1 UNL1111111111 0.1557 42 H -4.9423 -2.5039 0.8368 H 1 UNL1111111111 0.1524 43 H -5.1954 -1.7780 -0.7588 H 1 UNL1111111111 0.1803 44 H -0.8796 2.4814 -0.3989 H 1 UNL1111111111 0.3602 45 H -3.5536 3.3228 1.0635 H 1 UNL1111111111 0.3443 46 H -5.5895 1.3558 0.3642 H 1 UNL1111111111 0.3333 47 H 0.6211 -4.2946 0.2014 H 1 UNL1111111111 0.3172 48 H 5.3104 -3.2351 0.4707 H 1 UNL1111111111 0.1474 49 H 3.6792 -3.6825 -0.1489 H 1 UNL1111111111 0.1422 50 H 3.9165 -3.3599 1.6106 H 1 UNL1111111111 0.1221 51 H 5.5951 3.7860 0.1356 H 1 UNL1111111111 0.1955 52 H 5.0937 3.1445 1.7094 H 1 UNL1111111111 0.1779 53 H 6.2380 2.2334 0.6944 H 1 UNL1111111111 0.1786 @BOND 1 1 12 1 2 1 16 1 3 2 15 1 4 2 17 1 5 3 16 1 6 3 21 1 7 4 13 1 8 4 40 1 9 5 17 1 10 5 25 1 11 6 18 1 12 6 44 1 13 7 19 1 14 7 45 1 15 8 20 1 16 8 46 1 17 9 22 1 18 9 47 1 19 10 24 2 20 11 14 1 21 11 24 am 22 11 39 1 23 12 13 1 24 12 15 1 25 12 27 1 26 13 14 1 27 13 28 1 28 14 17 1 29 14 29 1 30 15 22 1 31 15 30 1 32 16 18 1 33 16 31 1 34 17 33 1 35 18 19 1 36 18 32 1 37 19 20 1 38 19 34 1 39 20 21 1 40 20 35 1 41 21 23 1 42 21 36 1 43 22 37 1 44 22 38 1 45 23 41 1 46 23 42 1 47 23 43 1 48 24 26 1 49 25 48 1 50 25 49 1 51 25 50 1 52 26 51 1 53 26 52 1 54 26 53 1